CID 204590

Benzo(b)thiophene-3-methylamine, n-(2-chloroethyl)-n-isopropyl-5-methyl-, hydrochloride

Structural Information

Molecular Formula
C15H20ClNS
SMILES
CC1=CC2=C(C=C1)SC=C2CN(CCCl)C(C)C
InChI
InChI=1S/C15H20ClNS/c1-11(2)17(7-6-16)9-13-10-18-15-5-4-12(3)8-14(13)15/h4-5,8,10-11H,6-7,9H2,1-3H3
InChIKey
DIAWTUYSPOFRTQ-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-[(5-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1005 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.107776 165.5
[M+Na]+ 304.089718 174.6
[M-H]- 280.093224 171.8
[M+NH4]+ 299.134323 186.8
[M+K]+ 320.063658 169.7
[M+H-H2O]+ 264.097760 160.1
[M+HCOO]- 326.098701 180.7
[M+CH3COO]- 340.114351 205.3
[M+Na-2H]- 302.075166 165.7
[M]+ 281.09995142 173.6
[M]- 281.10104858 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.